CID 215060

Cis-2-methyl-2-(p-isopropylphenyl)-4-carbamoyloxymethyl-1,3-dioxolane

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC(C)C1=CC=C(C=C1)[C@]2(OC[C@H](O2)N(CO)C=O)C
InChI
InChI=1S/C15H21NO4/c1-11(2)12-4-6-13(7-5-12)15(3)19-8-14(20-15)16(9-17)10-18/h4-7,9,11,14,18H,8,10H2,1-3H3/t14-,15-/m0/s1
InChIKey
NMFBGBYZBOKIGQ-GJZGRUSLSA-N
Compound name
N-(hydroxymethyl)-N-[(2S,4S)-2-methyl-2-(4-propan-2-ylphenyl)-1,3-dioxolan-4-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 165.1
[M+Na]+ 302.136278 170.7
[M-H]- 278.139784 173.0
[M+NH4]+ 297.180883 181.7
[M+K]+ 318.110218 171.8
[M+H-H2O]+ 262.144320 159.2
[M+HCOO]- 324.145261 185.2
[M+CH3COO]- 338.160911 201.9
[M+Na-2H]- 300.121726 167.9
[M]+ 279.14651142 167.9
[M]- 279.14760858 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.